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authorThomas White <taw@physics.org>2021-08-20 12:40:46 +0200
committerThomas White <taw@physics.org>2021-08-20 12:40:46 +0200
commit14ef0217cbc00a02818ca24d1356bfe33af48130 (patch)
tree59cb6b890e3cebe9bcbdefda64d69304d007a73f /libcrystfel/src/reflist-utils.c
parent4adad5b339599dd59246090e3fc8b9b6cfa54b25 (diff)
write_to_xds: Add missing 'S' (!)
Diffstat (limited to 'libcrystfel/src/reflist-utils.c')
-rw-r--r--libcrystfel/src/reflist-utils.c2
1 files changed, 1 insertions, 1 deletions
diff --git a/libcrystfel/src/reflist-utils.c b/libcrystfel/src/reflist-utils.c
index 21662edb..8f461522 100644
--- a/libcrystfel/src/reflist-utils.c
+++ b/libcrystfel/src/reflist-utils.c
@@ -958,7 +958,7 @@ int write_to_xds(RefList *reflist,
fprintf(fh, "!FORMAT=XDS_ASCII MERGE=TRUE FRIEDEL'S_LAW=%s\n",
is_centrosymmetric(sym) ? "TRUE" : "FALSE");
fprintf(fh, "!SPACE_GROUP_NUMBER=%i\n", spg);
- fprintf(fh, "!UNIT_CELL_CONSTANT= %.2f %.2f %.2f %.2f %.2f %.2f\n",
+ fprintf(fh, "!UNIT_CELL_CONSTANTS= %.2f %.2f %.2f %.2f %.2f %.2f\n",
a*1e10, b*1e10, c*1e10, rad2deg(al), rad2deg(be), rad2deg(ga));
fprintf(fh, "!NUMBER_OF_ITEMS_IN_EACH_DATA_RECORD=5\n");
fprintf(fh, "!ITEM_H=1\n");